2-non-1-enylcyclopropane-1-carboxylic acid

C13H22O2 — CID 57032997

IUPAC2-non-1-enylcyclopropane-1-carboxylic acid
SMILESCCCCCCCC=CC1CC1C(=O)O
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-11-10-12(11)13(14)15/h8-9,11-12H,2-7,10H2,1H3,(H,14,15)
InChIKeyWEMMNWIWHNMPJY-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.62
Rot. Bonds8

About 2-non-1-enylcyclopropane-1-carboxylic acid

2-non-1-enylcyclopropane-1-carboxylic acid (PubChem CID 57032997) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-non-1-enylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-non-1-enylcyclopropane-1-carboxylic acid
PubChem CID57032997
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-non-1-enylcyclopropane-1-carboxylic acid
SMILESCCCCCCCC=CC1CC1C(=O)O
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-11-10-12(11)13(14)15/h8-9,11-12H,2-7,10H2,1H3,(H,14,15)
InChIKeyWEMMNWIWHNMPJY-UHFFFAOYSA-N
XLogP3.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid
CID 143897565
(2R,3S)-2-methyl-1-[(Z)-octadec-9-enyl]-5-oxopyrrolidine-3-carboxylic acid
CID 167202161
1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone
CID 130036272
trans-(1S,2S)-2-[(Z)-hept-1-enyl]-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 70831485
carbonic acid;(Z)-octadec-9-ene
CID 87599003
1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one
CID 57076545
(2R,3S)-2-methyl-1-[(9Z,12Z)-octadeca-9,12-dienyl]-5-oxopyrrolidine-3-carboxylic acid
CID 167202384
carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane
CID 70519875
2-(3-butoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylic acid
CID 54406379
acetic acid;(E)-tetradec-7-ene
CID 174697247
methyl 8-(2-hex-1-enylcyclopropyl)oct-7-enoate
CID 77365865
7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid
CID 57259279

Frequently Asked Questions

What is the IUPAC name of 2-non-1-enylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-non-1-enylcyclopropane-1-carboxylic acid (CID 57032997) is 2-non-1-enylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-non-1-enylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-non-1-enylcyclopropane-1-carboxylic acid is CCCCCCCC=CC1CC1C(=O)O.
What is the InChIKey of 2-non-1-enylcyclopropane-1-carboxylic acid?
The InChIKey is WEMMNWIWHNMPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-11-10-12(11)13(14)15/h8-9,11-12H,2-7,10H2,1H3,(H,14,15).
What are the key properties of 2-non-1-enylcyclopropane-1-carboxylic acid?
2-non-1-enylcyclopropane-1-carboxylic acid has a molecular weight of 210.32 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-non-1-enylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 57032997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).